2-(4-chlorophenyl)sulfonyl-3-[3-[4-(3-methylbutoxy)phenyl]-1-phenyl-pyrazol-4-yl]prop-2-enenitrile

Systemtic Name: 2-(4-chlorophenyl)sulfonyl-3-[3-[4-(3-methylbutoxy)phenyl]-1-phenyl-pyrazol-4-yl]prop-2-enenitrile Openeye Name: 2-(4-chlorophenyl)sulfonyl-3-[3-(4-isopentyloxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile CAS Name: 2-(4-chlorophenyl)sulfonyl-3-[3-[4-(3-methylbutoxy)phenyl]-1-phenyl-4-pyrazolyl]-2-propenenitrile IUPAC Name: 2-(4-chlorophenyl)sulfonyl-3-[3-[4-(3-methylbutoxy)phenyl]-1-phenylpyrazol-4-yl]prop-2-enenitrile Traditional Name: 2-(4-chlorophenyl)sulfonyl-3-[3-(4-isoamoxyphenyl)-1-phenyl-pyrazol-4-yl]acrylonitrile Formula: C29H26ClN3O3S MolecularWeight: 532.05304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)S(=O)(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)S(=O)(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C29H26ClN3O3S/c1-21(2)16-17-36-26-12-8-22(9-13-26)29-23(20-33(32-29)25-6-4-3-5-7-25)18-28(19-31)37(34,35)27-14-10-24(30)11-15-27/h3-15,18,20-21H,16-17H2,1-2H3